ethyl 2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6914 |
| Compound Name: | ethyl 2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C23 H29 N O3 S |
| Smiles: | CCC(CC)C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.841 |
| logD: | 3.0913 |
| logSw: | -5.598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.798 |
| InChI Key: | AKBTZXVQMQWRFG-QGZVFWFLSA-N |